2-methoxy-4-nitro-1-propoxybenzene

C10H13NO4 — CID 131858212

IUPAC2-methoxy-4-nitro-1-propoxybenzene
SMILESCCCOc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C10H13NO4/c1-3-6-15-9-5-4-8(11(12)13)7-10(9)14-2/h4-5,7H,3,6H2,1-2H3
InChIKeyJPERPURBPOMEII-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.39
Rot. Bonds5

About 2-methoxy-4-nitro-1-propoxybenzene

2-methoxy-4-nitro-1-propoxybenzene (PubChem CID 131858212) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-methoxy-4-nitro-1-propoxybenzene.

Molecular Properties

Compound Name2-methoxy-4-nitro-1-propoxybenzene
PubChem CID131858212
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-methoxy-4-nitro-1-propoxybenzene
SMILESCCCOc1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C10H13NO4/c1-3-6-15-9-5-4-8(11(12)13)7-10(9)14-2/h4-5,7H,3,6H2,1-2H3
InChIKeyJPERPURBPOMEII-UHFFFAOYSA-N
XLogP2.39
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloroethoxy)-2-methoxy-4-nitrobenzene
CID 22326897
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081
trifluoro-[(2-methoxy-4-nitrophenoxy)methyl]boranuide
CID 63703665
2-(bromomethyl)-4-nitro-1-propoxybenzene
CID 43473042
N'-(2-chloro-5-nitrobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440166
N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide
CID 9376413
3-(2-methoxy-5-nitrophenoxy)propanal
CID 63038722
1-(3,7-dimethyloctoxy)-2-methoxy-4-nitrobenzene
CID 163715158
N'-hydroxy-4-(2-methoxy-4-nitrophenoxy)butanimidamide
CID 55036254
4-nitro-2,6-dipropoxyaniline
CID 54333696
2-(3,3-diethoxypropoxy)-1-methoxy-4-nitrobenzene
CID 63629477
4-[2-(2-methoxy-4-nitrophenoxy)ethyl]piperidine
CID 105061240

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-nitro-1-propoxybenzene?
The IUPAC name of 2-methoxy-4-nitro-1-propoxybenzene (CID 131858212) is 2-methoxy-4-nitro-1-propoxybenzene.
What is the SMILES notation for 2-methoxy-4-nitro-1-propoxybenzene?
The canonical SMILES for 2-methoxy-4-nitro-1-propoxybenzene is CCCOc1ccc([N+](=O)[O-])cc1OC.
What is the InChIKey of 2-methoxy-4-nitro-1-propoxybenzene?
The InChIKey is JPERPURBPOMEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-3-6-15-9-5-4-8(11(12)13)7-10(9)14-2/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 2-methoxy-4-nitro-1-propoxybenzene?
2-methoxy-4-nitro-1-propoxybenzene has a molecular weight of 211.22 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-nitro-1-propoxybenzene is sourced from PubChem (CID 131858212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).